4-hydroxy-6-methyl-3-(2-thiophen-2-ylacetyl)pyran-2-one

C12H10O4S — CID 54709977

IUPAC4-hydroxy-6-methyl-3-(2-thiophen-2-ylacetyl)pyran-2-one
SMILESCc1cc(O)c(C(=O)Cc2cccs2)c(=O)o1
InChIInChI=1S/C12H10O4S/c1-7-5-9(13)11(12(15)16-7)10(14)6-8-3-2-4-17-8/h2-5,13H,6H2,1H3
InChIKeySEPGGRFCGAONLW-UHFFFAOYSA-N
MW250.27 g/mol
LogP2.14
Rot. Bonds3

About 4-hydroxy-6-methyl-3-(2-thiophen-2-ylacetyl)pyran-2-one

4-hydroxy-6-methyl-3-(2-thiophen-2-ylacetyl)pyran-2-one (PubChem CID 54709977) has the molecular formula C12H10O4S and a molecular weight of 250.27 g/mol. Its IUPAC name is 4-hydroxy-6-methyl-3-(2-thiophen-2-ylacetyl)pyran-2-one.

Molecular Properties

Compound Name4-hydroxy-6-methyl-3-(2-thiophen-2-ylacetyl)pyran-2-one
PubChem CID54709977
Molecular FormulaC12H10O4S
Molecular Weight250.27 g/mol
Exact Mass250.03
IUPAC Name4-hydroxy-6-methyl-3-(2-thiophen-2-ylacetyl)pyran-2-one
SMILESCc1cc(O)c(C(=O)Cc2cccs2)c(=O)o1
InChIInChI=1S/C12H10O4S/c1-7-5-9(13)11(12(15)16-7)10(14)6-8-3-2-4-17-8/h2-5,13H,6H2,1H3
InChIKeySEPGGRFCGAONLW-UHFFFAOYSA-N
XLogP2.14
TPSA67.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.27
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-hydroxy-6-methyl-3-(2-thiophen-2-ylacetyl)pyran-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-6-methyl-3-(2-thiophen-2-ylacetyl)pyran-2-one?
The IUPAC name of 4-hydroxy-6-methyl-3-(2-thiophen-2-ylacetyl)pyran-2-one (CID 54709977) is 4-hydroxy-6-methyl-3-(2-thiophen-2-ylacetyl)pyran-2-one.
What is the SMILES notation for 4-hydroxy-6-methyl-3-(2-thiophen-2-ylacetyl)pyran-2-one?
The canonical SMILES for 4-hydroxy-6-methyl-3-(2-thiophen-2-ylacetyl)pyran-2-one is Cc1cc(O)c(C(=O)Cc2cccs2)c(=O)o1.
What is the InChIKey of 4-hydroxy-6-methyl-3-(2-thiophen-2-ylacetyl)pyran-2-one?
The InChIKey is SEPGGRFCGAONLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10O4S/c1-7-5-9(13)11(12(15)16-7)10(14)6-8-3-2-4-17-8/h2-5,13H,6H2,1H3.
What are the key properties of 4-hydroxy-6-methyl-3-(2-thiophen-2-ylacetyl)pyran-2-one?
4-hydroxy-6-methyl-3-(2-thiophen-2-ylacetyl)pyran-2-one has a molecular weight of 250.27 g/mol, XLogP of 2.14, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-6-methyl-3-(2-thiophen-2-ylacetyl)pyran-2-one is sourced from PubChem (CID 54709977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).